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Hammett neural networks: prediction of frontier orbital energies of tungsten–benzylidyne photoredox complexes
The successful application of Hammett parameters as input features for regressive machine learning models is demonstrated and applied to predict energies of frontier orbitals of highly reducing tungsten–benzylidyne complexes of the form W([triple bond, length as m-dash]CArR)L(4)X. Using a reference...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6657405/ https://www.ncbi.nlm.nih.gov/pubmed/31391907 http://dx.doi.org/10.1039/c9sc02339a |